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MMsINC code: MMs02144493

Type: Neutral
Formula: C₁₇H₂₄N₂O₃

SMILES:

o1cccc1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1

InChI:

InChI=1/C17H24N2O3/c20-16(13-5-2-1-3-6-13)18-14-8-10-19(11-9-14)17(21)15-7-4-12-22-15/h4,7,12-14H,1-3,5-6,8-11H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.6991 kcal/mol

Physical Properties
Molecular Weight: 304.39 g/mol	logS: -3.75606	SlogP: 2.5807	Reactive groups: 0

Topological Properties
Globularity: 0.035087	Sterimol/B1: 2.61169	Sterimol/B2: 3.22688	Sterimol/B3: 3.99139
Sterimol/B4: 5.87425	Sterimol/L: 17.9458

Surface and Volume Properties
Accessible surface: 560.87	Positive charged surface: 397.924	Negative charged surface: 162.945	Volume: 302.5
Hydrophobic surface: 495.059	Hydrophilic surface: 65.811

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.